[gmx-users] nstcomm < nstcalenergy

[yujie liu]

Hi，
Firstly, you should confirm your gromacs version, gromacs 5.x certainly includes nstcalenergy options in .mdp file. So you must set nstcalenergy=1 while  the default value is 10 in .mdp if you want to nstcomm=1.

thanks